HIT ID: HIT214319326

Cas No: 80496-58-8

分子式: C30H42O11

分子量: 578.655

常用名: Deacetylscilliroside

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 5-[(1R,3aR,3bS,5R,7S,9aR,9bR,11aR)-3a,3b,5-trihydroxy-9a,11a-dimethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2H-pyran-2-one

SMILES: [H][C@]12CC[C@]3(C)[C@H](CC[C@]3(O)[C@]1(O)C[C@@H](O)C1=C[C@H](CC[C@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(=O)oc1 |t:18|

InChI key: XLCCXBCMWUOBIG-GBLFHTIZSA-N